4635-59-0

4-氯丁酰氯(4635-59-0)核磁圖(¹HNMR)

產(chǎn)品名稱:4-氯丁酰氯

CAS:4635-59-0

分子式:C4H6Cl2O

分子量: 141

InChI:InChI=1S/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2

InChIKey: CDIIZULDSLKBKV-UHFFFAOYSA-N

Smiles:C(Cl)(=O)CCCCl

Mass

MS-NW-2824          
4-chlorobutyryl chloride
C4H6Cl2O            (Mass of molecular ion:    140)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.8
      15.0       2.0
      26.0       5.8
      27.0      23.4
      28.0       5.7
      29.0       1.0
      35.0       2.4
      36.0       7.3
      37.0       3.2
      38.0       5.0
      39.0      30.3
      40.0       4.1
      41.0      86.3
      42.0      18.7
      43.0       1.7
      48.0       1.0
      49.0      16.1
      51.0       5.4
      55.0      21.2
      56.0       1.4
      61.0       1.9
      62.0       1.4
      63.0       8.1
      65.0       2.5
      69.0       7.7
      75.0       3.7
      76.0       5.1
      77.0      19.7
      78.0      48.4
      79.0       6.8
      80.0      15.4
     104.0       7.5
     105.0     100.0
     106.0       6.8
     107.0      32.0
     108.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₆ Cl₂ O	0.05 ml : 0.5 ml CDCl₃
4-chlorobutyryl chloride

    Assign.     Shift(ppm)

      A             3.605
      B             3.12
      C             2.17

     Hz     ppm     Int.

    329.38   3.678    514
    327.69   3.659     31
    326.81   3.650     37
    326.13   3.642     31
    323.31   3.610   1000
    319.19   3.564     52
    317.00   3.540    649
    287.31   3.209    344
    286.75   3.202    318
    280.25   3.130    724
    276.81   3.091     34
    273.25   3.052    506
    272.81   3.047    463
    206.94   2.311    124
    206.13   2.302    127
    200.31   2.237    325
    199.25   2.225    242
    197.69   2.208     40
    196.94   2.199     42
    194.06   2.167    323
    193.56   2.162    415
    192.75   2.153    317
    190.63   2.129     38
    189.88   2.121     33
    187.44   2.093    277
    186.69   2.085    190
    185.88   2.076    174
    180.56   2.017     81
    179.75   2.008     78

in CDCl3